4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid

C16H20N2O3 — CID 107200323

IUPAC4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCN(CCCCCO)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-18(9-5-2-6-10-19)15-12-7-3-4-8-14(12)17-11-13(15)16(20)21/h3-4,7-8,11,19H,2,5-6,9-10H2,1H3,(H,20,21)
InChIKeyOZOHYBSBRDLSHV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.53
Rot. Bonds7

About 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid

4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid (PubChem CID 107200323) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
PubChem CID107200323
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
SMILESCN(CCCCCO)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C16H20N2O3/c1-18(9-5-2-6-10-19)15-12-7-3-4-8-14(12)17-11-13(15)16(20)21/h3-4,7-8,11,19H,2,5-6,9-10H2,1H3,(H,20,21)
InChIKeyOZOHYBSBRDLSHV-UHFFFAOYSA-N
XLogP2.53
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
N-[4-[4-iodobutyl(methyl)amino]quinolin-3-yl]acetamide
CID 146428926
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid (CID 107200323) is 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid is CN(CCCCCO)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid?
The InChIKey is OZOHYBSBRDLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(9-5-2-6-10-19)15-12-7-3-4-8-14(12)17-11-13(15)16(20)21/h3-4,7-8,11,19H,2,5-6,9-10H2,1H3,(H,20,21).
What are the key properties of 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid?
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 107200323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).